methyl 3-[(3R,7aS)-3-(4-methoxyphenyl)-5-oxidanylidene-1,3-dihydropyrrolo[1,2-c][1,3]oxazol-7a-yl]propanoate

Systemtic Name: methyl 3-[(3R,7aS)-3-(4-methoxyphenyl)-5-oxidanylidene-1,3-dihydropyrrolo[1,2-c][1,3]oxazol-7a-yl]propanoate Openeye Name: methyl 3-[(3R,7aS)-3-(4-methoxyphenyl)-5-oxo-1,3-dihydropyrrolo[1,2-c]oxazol-7a-yl]propanoate CAS Name: 3-[(3R,7aS)-3-(4-methoxyphenyl)-5-oxo-1,3-dihydropyrrolo[1,2-c]oxazol-7a-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3R,7aS)-3-(4-methoxyphenyl)-5-oxo-1,3-dihydropyrrolo[1,2-c][1,3]oxazol-7a-yl]propanoate Traditional Name: 3-[(3R,7aS)-5-keto-3-(4-methoxyphenyl)-1,3-dihydropyrrolo[1,2-c]oxazol-7a-yl]propionic acid methyl ester Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2N3C(=O)C=CC3(CO2)CCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2N3C(=O)C=C[C@]3(CO2)CCC(=O)OC

InChI

InChI=1S/C17H19NO5/c1-21-13-5-3-12(4-6-13)16-18-14(19)7-9-17(18,11-23-16)10-8-15(20)22-2/h3-7,9,16H,8,10-11H2,1-2H3/t16-,17-/m1/s1